CID 15953896

Bipiperidine deriv.

Structural Information

Molecular Formula
C27H35N5O
SMILES
CC(C)NC1=C(N=CC=C1)N2CCC(CC2)C3CCN(CC3)C(=O)C4=CC5=CC=CC=C5N4
InChI
InChI=1S/C27H35N5O/c1-19(2)29-24-8-5-13-28-26(24)31-14-9-20(10-15-31)21-11-16-32(17-12-21)27(33)25-18-22-6-3-4-7-23(22)30-25/h3-8,13,18-21,29-30H,9-12,14-17H2,1-2H3
InChIKey
RARMDBZEUPBUAX-UHFFFAOYSA-N
Compound name
1H-indol-2-yl-[4-[1-[3-(propan-2-ylamino)pyridin-2-yl]piperidin-4-yl]piperidin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.28415 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.29143 209.9
[M+Na]+ 468.27337 211.0
[M-H]- 444.27687 215.0
[M+NH4]+ 463.31797 213.7
[M+K]+ 484.24731 202.9
[M+H-H2O]+ 428.28141 196.3
[M+HCOO]- 490.28235 217.9
[M+CH3COO]- 504.29800 214.0
[M+Na-2H]- 466.25882 206.1
[M]+ 445.28360 201.0
[M]- 445.28470 201.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.